![4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide structure](/static/products/896/896072-94-9.png)
4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
TL;DR: 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 896072-94-9) is a chemical compound with molecular formula C32H30ClN3O2 and molecular weight 523.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-6-(4-ethylphenyl)-N-(3-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
| Molecular Formula | C32H30ClN3O2 |
|---|---|
| Molecular Weight | 523.20 g/mol |
| LogP | 7.8878 |
| Topological Polar Surface Area | 47.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 523.20264 |
| Heavy Atoms | 38 |
| Complexity | 1628.5646 |
Chemical Identifiers
| CAS Number | 896072-94-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)Cl)C(=O)NC6=CC(=CC=C6)OC |
Product Overview
4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 896072-94-9), with molecular formula C32H30ClN3O2 and molecular weight 523.20 g/mol. IUPAC: 2-(4-chlorophenyl)-6-(4-ethylphenyl)-N-(3-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Property Insights of 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
The XLogP value of 7.8878 indicates that 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.67 Ų, 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The CAS number of 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 896072-94-9.
What is the molecular formula of 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular formula of 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is C32H30ClN3O2.
What is the molecular weight of 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular weight of 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 523.20 g/mol.
Where can I buy 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
You can request a quote for 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.